Monomers

Ethyl vinyl ketone

Identifiers

IUPAC name
pent-1-en-3-one
InchI
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
InchI Key
JLIDVCMBCGBIEY-UHFFFAOYSA-N
SMILES
CCC(=O)C=C
Canonical SMILES
CCC(=O)C=C
Isomeric SMILES
CCC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O
Heavy Atom Count
6
Molecular Weight
84.118
Exact Molecular Weight
84.0575
Valence Electrons
34
Radical Electrons
0
tPSA
17.07
MolLogP
1.1515
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 14 13  0  0  0  0  0  0  0  0999 V2000
    1.8883    0.3099    0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9479   -0.8567    0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3402   -0.4938   -0.4403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6091   -0.8560   -1.6035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2920    0.2806    0.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4476    0.5900   -0.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2952    1.2689    0.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793    0.3185    1.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5073    0.3555   -0.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8736   -1.2697    1.1968 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4634   -1.6760   -0.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0300    0.5974    1.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1623    1.1684    0.3173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6737    0.2630   -1.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  5 12  1  0
  6 13  1  0
  6 14  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers